Geometry & MOs

Info

ID:

150604

PubChem CID:

53790297

Reduced:

ClSN2O8C42H63 (1)

Stoich.:

ABC2D8E42F63 (1)

Weight, g/mol:

802.399366

ΔHf, kcal/mol:

-382.95

Dipole, Da:

6.18

IP(EA), eV:

 -9.69(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexadecyl 4-chloro-3-[[2-[4-ethylsulfonyl-2-[(1-methylcyclohexanecarbonyl)amino]phenoxy]-3-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C)OC2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C(C)(C)C(C)(C)C

DOS

IR

Vibrations